Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-32-2) is a chemical compound with molecular formula C13H13BrO4 and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate, BIM-0002433.P001, methyl 6-bromo-5-ethoxy-2-methylbenzofuran-3-carboxylate, F0821-0434, methyl 6-bromo-5-ethoxy-2-methylbenzo[b]furan-3-carboxylate
| Molecular Formula | C13H13BrO4 |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 3.68902 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.99973 |
| Heavy Atoms | 18 |
| Complexity | 600.5473 |
Chemical Identifiers
| CAS Number | 315237-32-2 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OC)Br |
Product Overview
Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-32-2), with molecular formula C13H13BrO4 and molecular weight 312.00 g/mol. IUPAC: methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 3.68902 indicates that Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.67 Ų, Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is 315237-32-2.
What is the molecular formula of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is C13H13BrO4.
What is the molecular weight of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate is 312.00 g/mol.
Where can I buy Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-bromo-5-ethoxy-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.